smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC=C1C(=O)[N-]C(=O)N(c2ccc(I)cc2)C1=O	ZINC000002323983	132252221	/nfs/dbraw/zinc/25/22/21/132252221.db2.gz	KTEGZKMNCYAKNK-FMIVXFBMSA-N	-1	3	428.230	0.909	50	10		ICCAHM
COc1ccc(NC(=S)NN=c2nc(N3CCOCC3)nc(N3CCOCC3)[n-]2)cc1	ZINC000009708809	132326721	/nfs/dbraw/zinc/32/67/21/132326721.db2.gz	PXDLKZYCBKNQKJ-UHFFFAOYSA-N	-1	3	446.537	0.867	50	10		ICCAHM
COc1ccccc1NC(=S)NN=c1nc(N2CCOCC2)nc(N2CCOCC2)[n-]1	ZINC000009708815	132326708	/nfs/dbraw/zinc/32/67/08/132326708.db2.gz	NLDJYBSPRJOBGN-UHFFFAOYSA-N	-1	3	446.537	0.867	50	10		ICCAHM
Nc1c(=O)[n-]c(=O)[nH]c1C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000012633158	527424485	/nfs/dbraw/zinc/42/44/85/527424485.db2.gz	MLTAIYCBRWQWCD-UHFFFAOYSA-N	-1	3	434.364	0.216	50	10		ICCAHM
CCN1C(=O)C(=CNC[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)[N-]C1=S	ZINC000020410583	569363970	/nfs/dbraw/zinc/36/39/70/569363970.db2.gz	UNKSUKDDVDDQEP-RPHSKFLZSA-N	-1	3	432.502	0.690	50	10	biogenic	ICCAHM
CCN1C(=O)C(=CNC[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)C(=O)[N-]C1=S	ZINC000020410586	569363989	/nfs/dbraw/zinc/36/39/89/569363989.db2.gz	UNKSUKDDVDDQEP-YQCJOKCJSA-N	-1	3	432.502	0.690	50	10	biogenic	ICCAHM
COc1ccc(N2CCN(CCNC(=O)C[N-]S(=O)(=O)c3cccs3)CC2)cc1	ZINC000058013065	569444974	/nfs/dbraw/zinc/44/49/74/569444974.db2.gz	OMCGSAWLLDUMRR-UHFFFAOYSA-N	-1	3	438.575	0.973	50	10		ICCAHM